Acetic Acid → HCID 86761833, compound

HRID 1549765Notes

Reaction equation

HRID 1549765 reaction equation
[C:30](=[O:31])([O-:32])[OH:33].[C:35]([BH3-:36])#[N:37].[CH3:49][C:50](=[O:51])[OH:52].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH:1]1([C:6](=[O:7])[c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][c:15]([F:18])[cH:16][cH:17]3)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl-:44].[Cl-:46].[Cl-:47].[Cl-:48].[Cl:53][CH2:54][Cl:55].[NH2:19][c:20]1[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]1.[Na+:34].[Na+:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[Ti+4:45]>>[CH:1]1([CH:6]([c:8]2[o:9][c:10]3[c:11]([c:12]2[CH3:13])[cH:14][c:15]([F:18])[cH:16][cH:17]3)[NH:19][c:20]2[cH:21][cH:22][c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

12

Reactant 11

HCID 176Acetic AcidHCID 312Chloride4×HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 12082Methyl 4-aminobenzoateHCID 114942Titanium cation (4+)HCID 498716Cyano-borohydrideHCID 46941771HCID 46941771, compound

Product 1

HCID 86761833HCID 86761833, compound

Sources & evidence

ORD record
ord-768dfb8e4b764a559f92c8177d05ebb3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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